(2-phenylphenyl) 4-ethoxybenzoate

C21H18O3 — CID 23011325

IUPAC(2-phenylphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c1-2-23-18-14-12-17(13-15-18)21(22)24-20-11-7-6-10-19(20)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyWOCPBWOYBCWDGT-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.97
Rot. Bonds5

About (2-phenylphenyl) 4-ethoxybenzoate

(2-phenylphenyl) 4-ethoxybenzoate (PubChem CID 23011325) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2-phenylphenyl) 4-ethoxybenzoate.

Molecular Properties

Compound Name(2-phenylphenyl) 4-ethoxybenzoate
PubChem CID23011325
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(2-phenylphenyl) 4-ethoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C21H18O3/c1-2-23-18-14-12-17(13-15-18)21(22)24-20-11-7-6-10-19(20)16-8-4-3-5-9-16/h3-15H,2H2,1H3
InChIKeyWOCPBWOYBCWDGT-UHFFFAOYSA-N
XLogP4.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
(2-phenylphenyl) 3-bromo-4-ethoxybenzoate
CID 23013390
(2-phenylphenyl) 4-(6-prop-2-enoyloxyheptoxy)benzoate
CID 141252277
3-benzoyloxy-4-phenylbenzoic acid
CID 19859975
[2-(4-ethoxyphenyl)-4-[9-[3-(4-ethoxyphenyl)-4-methoxyphenyl]fluoren-9-yl]phenyl] benzoate
CID 58752865
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(3-octoxy-4-phenylphenyl) 4-heptoxybenzoate
CID 139630233
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
1-[4-(2-ethoxyphenyl)phenyl]ethanone
CID 62801533
[2-(4-ethoxybenzoyl)oxy-4-methylphenyl] 4-ethoxybenzoate
CID 89316191
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327

Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl) 4-ethoxybenzoate?
The IUPAC name of (2-phenylphenyl) 4-ethoxybenzoate (CID 23011325) is (2-phenylphenyl) 4-ethoxybenzoate.
What is the SMILES notation for (2-phenylphenyl) 4-ethoxybenzoate?
The canonical SMILES for (2-phenylphenyl) 4-ethoxybenzoate is CCOc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of (2-phenylphenyl) 4-ethoxybenzoate?
The InChIKey is WOCPBWOYBCWDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-2-23-18-14-12-17(13-15-18)21(22)24-20-11-7-6-10-19(20)16-8-4-3-5-9-16/h3-15H,2H2,1H3.
What are the key properties of (2-phenylphenyl) 4-ethoxybenzoate?
(2-phenylphenyl) 4-ethoxybenzoate has a molecular weight of 318.37 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl) 4-ethoxybenzoate is sourced from PubChem (CID 23011325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).